2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine

C16H19BrFN3 — CID 107281416

IUPAC2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)cc2Br)nc(C)c1C(C)C
InChIInChI=1S/C16H19BrFN3/c1-5-19-16-14(9(2)3)10(4)20-15(21-16)12-7-6-11(18)8-13(12)17/h6-9H,5H2,1-4H3,(H,19,20,21)
InChIKeyRHKWCWAKWUCPHU-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.91
Rot. Bonds4

About 2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine

2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 107281416) has the molecular formula C16H19BrFN3 and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID107281416
Molecular FormulaC16H19BrFN3
Molecular Weight352.25 g/mol
Exact Mass351.07
IUPAC Name2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)cc2Br)nc(C)c1C(C)C
InChIInChI=1S/C16H19BrFN3/c1-5-19-16-14(9(2)3)10(4)20-15(21-16)12-7-6-11(18)8-13(12)17/h6-9H,5H2,1-4H3,(H,19,20,21)
InChIKeyRHKWCWAKWUCPHU-UHFFFAOYSA-N
XLogP4.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 81272931
5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 107281456
5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 107281439
N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63485270
N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
CID 81278021
N-ethyl-6-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 62913834
2-(5-fluoro-2-pyridinyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 79713717
5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine
CID 79717868
2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107281453
[2-(4-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62916072
5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 103083781
2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 55219975

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine (CID 107281416) is 2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine is CCNc1nc(-c2ccc(F)cc2Br)nc(C)c1C(C)C.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is RHKWCWAKWUCPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3/c1-5-19-16-14(9(2)3)10(4)20-15(21-16)12-7-6-11(18)8-13(12)17/h6-9H,5H2,1-4H3,(H,19,20,21).
What are the key properties of 2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine?
2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 352.25 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107281416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).